[1-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]piperidin-4-yl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [1-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]piperidin-4-yl]-(pyridin-3-ylmethyl)azanium Openeye Name: [1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-piperidyl]-(3-pyridylmethyl)ammonium CAS Name: [1-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]-4-piperidinyl]-(3-pyridinylmethyl)ammonium IUPAC Name: [1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]piperidin-4-yl]-(pyridin-3-ylmethyl)azanium Traditional Name: [1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-piperidyl]-(3-pyridylmethyl)ammonium Formula: C27H31N4O+ MolecularWeight: 427.56124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CN(CCC1[NH2+]CC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H30N4O/c32-27(31-15-11-22-5-1-2-6-24(22)20-31)23-7-9-26(10-8-23)30-16-12-25(13-17-30)29-19-21-4-3-14-28-18-21/h1-10,14,18,25,29H,11-13,15-17,19-20H2/p+1